2-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Chemical Structure Depiction of
2-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
2-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-5-methylhexahydro-1H-isoindole-1,3(2H)-dione
Compound characteristics
| Compound ID: | K807-0835 |
| Compound Name: | 2-[4-(4-benzylpiperidin-1-yl)-3-nitrophenyl]-5-methylhexahydro-1H-isoindole-1,3(2H)-dione |
| Molecular Weight: | 461.56 |
| Molecular Formula: | C27 H31 N3 O4 |
| Smiles: | CC1CCC2C(C1)C(N(C2=O)c1ccc(c(c1)[N+]([O-])=O)N1CCC(CC1)Cc1ccccc1)=O |
| Stereo: | MIXTURE OF STEREOISOMERS |
| logP: | 5.3132 |
| logD: | 5.3132 |
| logSw: | -5.3303 |
| Hydrogen bond acceptors count: | 8 |
| Polar surface area: | 65.033 |
| InChI Key: | VCHDRFMXPKPMMZ-UHFFFAOYSA-N |